Sugi Predict

Sugi Predict / Compounds / SCHEMBL2247048

SCHEMBL2247048

SCHEMBL2247048

CC(C)C[C@H](C(=O)N1CC=C(c2ccc(Cl)cc2)CC1)[C@H]1OC(C)(C)OC1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 4/20 0.52
▸ CNR1 P21554 1/20 0.43
▸ CRHBP P24387 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ AKT1 P31749 1/20 0.38
▸ AKT2 P31751 1/20 0.38
▸ AKT3 Q9Y243 1/20 0.38
▸ NAMPT P43490 5/20 0.38
▸ MMP14 P50281 1/20 0.37
▸ ADAMTS5 Q9UNA0 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.36
▸ PARP1 P09874 2/20 0.36
▸ HTR1D P28221 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2548375 1.00 CCR1 (0.52) CCR1CNR1CRHBPKMT2ACRHR2
SCHEMBL2249278 0.92 MAPK1 (0.44) CCR1CRHBPKMT2ACRHR2NPC1
SCHEMBL2545653 0.92 MAPK1 (0.44) CCR1CRHBPKMT2ACRHR2NPC1
SCHEMBL2548854 0.91 KMT2A (0.48) CCR1CNR1CRHBPKMT2ACRHR2
SCHEMBL2248005 0.91 KMT2A (0.48) CCR1CNR1CRHBPKMT2ACRHR2
SCHEMBL2249362 0.76 PANK3 (0.46) CCR1LMNAMAPTHTTNPSR1
SCHEMBL2550594 0.76 PANK3 (0.46) CCR1LMNAMAPTHTTNPSR1
SCHEMBL2548377 0.75 CNR1 (0.52) CCR1CNR1KMT2ALMNAMAPT
SCHEMBL2247056 0.75 CNR1 (0.52) CCR1CNR1KMT2ALMNAMAPT
SCHEMBL2247211 0.73 CTSK (0.38) CCR1KMT2AAKT1AKT2AKT3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1771421-B1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF SERONO LAB (CH) 2009-04-29 — — EP claimed
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2008-01-24 — — US claimed
US-8247437-B2 N-hydroxyamide derivatives and use thereof MERCK SERONO SA (CH) 2012-08-21 — — US disclosed
US-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-10-27 — — US disclosed
US-8008302-B2 ((2S,3S) N,2-dihydroxy-5-methyl-3-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}hexanamide; for treatment and/or prevention of disorders related to autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, stroke, cancer, pre-term labor, endometriosis MERCK SERONO SA (CH) 2011-08-30 — — US disclosed
EP-1771421-B1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF SERONO LAB (CH) 2009-04-29 — — EP disclosed
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2008-01-24 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF HNMT, HCAR2, HPGD CCR1 1292/4885CNR1 262/4885CRHBP 2908/4885
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof HCAR2, HNMT, HPGD CCR1 1287/4885CNR1 249/4885CRHBP 2882/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.